4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride

C8H10ClNO4S2 — CID 19080175

IUPAC4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride
SMILESCN(c1ccc(S(=O)(=O)Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C8H10ClNO4S2/c1-10(15(2,11)12)7-3-5-8(6-4-7)16(9,13)14/h3-6H,1-2H3
InChIKeyYTUZZKYBLBPKCH-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.01
Rot. Bonds3

About 4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride

4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride (PubChem CID 19080175) has the molecular formula C8H10ClNO4S2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride
PubChem CID19080175
Molecular FormulaC8H10ClNO4S2
Molecular Weight283.76 g/mol
Exact Mass282.97
IUPAC Name4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride
SMILESCN(c1ccc(S(=O)(=O)Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C8H10ClNO4S2/c1-10(15(2,11)12)7-3-5-8(6-4-7)16(9,13)14/h3-6H,1-2H3
InChIKeyYTUZZKYBLBPKCH-UHFFFAOYSA-N
XLogP1.01
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[formyl(methyl)amino]benzenesulfonyl chloride
CID 43154622
4-silylbenzenesulfonyl chloride
CID 174005817
N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 113094478
N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 4662443
N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide
CID 117358329
N-methyl-N-[4-(3-oxopropyl)phenyl]methanesulfonamide
CID 117355627
N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanesulfonamide
CID 118097381
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmethanesulfonamide
CID 10154925
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide
CID 113094567
fluoromethane;4-methylbenzenesulfonyl chloride
CID 91127409

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride (CID 19080175) is 4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride is CN(c1ccc(S(=O)(=O)Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride?
The InChIKey is YTUZZKYBLBPKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO4S2/c1-10(15(2,11)12)7-3-5-8(6-4-7)16(9,13)14/h3-6H,1-2H3.
What are the key properties of 4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride?
4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride has a molecular weight of 283.76 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 19080175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).